Crystallography Open Database
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Displaying all data in COD
COD ID ![]() |
Links | Formula ![]() |
Space group ![]() |
Cell parameters | Cell volume ![]() |
Bibliography |
|---|---|---|---|---|---|---|
| 1100048 | CIF | Al2 Cr | I -4 3 m | 9.09; 9.09; 9.09 90; 90; 90 | 751.09 | Braun, J.; Ellner, M.; Predel, B. Zur struktur der hochtemperaturphase Cr~5~Al~8~(h) Journal of Alloys and Compounds, 1992, 183, 444-448 |
| 1100049 | CIF | Al8 Cr5 | R 3 m :R | 7.805; 7.805; 7.805 109.127; 109.127; 109.127 | 370.6 | A. J. Bradley; S. S. Lu The Crystal Structures of Cr~2~Al and Cr~2~Al~8~ Z. Kristallogr. A, 1937, 96, 20-37 |
| 1100050 | CIF | Al16 Cr9.5 | R 3 m :R | 7.811; 7.811; 7.811 109.13; 109.13; 109.13 | 371.42 | Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B, 1977, 33, 1088-1095 |
| 1100051 | CIF | Al65 Cr27 Fe8 | R 3 m :H | 12.6963024; 12.6963024; 7.9210911 90; 90; 120 | 1105.78 | Brandon, J. K.; Pearson, W. B.; Riley, P. W.; Chien, C.; Stokhuyzen, R. γ-Brasses with R cells Acta Crystallographica Section B, 1977, 33, 1088-1095 |
| 1100052 | CIF | B Ga O4 Sr | P 21 21 2 | 15.3706; 8.9921; 5.9191 90; 90; 90 | 818.11 | Yang, Z; Liang, J; Chen, X; Chen, J Ab intio structure determination of a new compound, beta-SrGaBO~4~,from powder diffraction data Journal of Solid State Chemistry, 2002, 165, 119-124 |
| 1100053 | CIF | Ba5 Cl2.5 Mo N4 O0.75 | C 1 2/m 1 | 10.8277; 11.8401; 10.3631 90; 111.96; 90 | 1232.2 | Francesconi, M. Grazia; Barker, Marten G.; Wilson, Claire Novel ternary N-containing mixed-anion compounds with ionic and covalent features Chemical Communications (Cambridge, United Kingdom), 2002, 1358-1359 |
| 1100054 | CIF | B2 Ba O6 Ti | R -3 :H | 5.0205; 5.0205; 16.3844 90; 90; 120 | 357.641 | Zhang, S; Wu, X; Chen, X; He, M; Cao, Y; Song,Y; Ni,D A structural study of BaTi(BO~3~)~2~ Materials Research Bulletin, 2003, 38, 783-788 |
| 1100055 | CIF | B5 Ca3 La3 O15 | P 63 m c | 10.5319; 10.5319; 6.4077 90; 90; 120 | 615.53 | Zhang, Y; Liang, J; Chen, X; He, M; Xu, T A structural study of Ca~3~La~3~(BO~3~)~5~ Journal of Alloys and Compounds, 2001, 327, 96-99 |
| 1100057 | CIF | Cu5 Zn8 | I -4 3 m | 8.878; 8.878; 8.878 90; 90; 90 | 699.75 | Brandon, J. K.; Brizard, R. Y.; Chieh, P. C.; McMillan, R. K.; Pearson, W. B. New refinements of the γ brass type structures Cu~5~Zn~8~, Cu~5~Cd~8~ and Fe~3~Zn~10~ Acta Crystallographica Section B, 1974, 30, 1412-1417 |
| 1100058 | CIF | Cu5 Zn8 | I -4 3 m | 8.85; 8.85; 8.85 90; 90; 90 | 693.15 | Bradley, A. J.; Gregory, C. H. A comparison of the crystal structures of Cu~5~Zn~8~ and Cu~5~Cd~8~ The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science: Series 7, 1931, 12, 143-162 |
| 1100060 | CIF | Al B2 Li3 O6 | P -1 | 4.876; 6.191; 7.91 74.46; 89.44; 89.52 | 230 | He, M; Chen, X; Gramlich, V; Baerlocher, Ch; Zhou, T; Hu, B Synthesis,structure, and thermal stability of Li~3~AlB~2~O~6~ Journal of Solid State Chemistry, 2002, 163, 369-376 |
| 1100062 | CIF | Fe0.333 I2 Li O6 | P 63 | 5.4632; 5.4632; 5.0859 90; 90; 120 | 131.5 | Lan, Y; Chen, X; Tao, Z; Xie, A; Jiang, P; Xu, T; Xu, Y X-ray powder diffraction data and Rietveld refinement for a new iodate: (LiFe~1/3~)(IO~3~)~2~ Power Diffraction, 2002, 17, 132-134 |
| 1100063 | CIF | C Mg Ni3 | P m -3 m | 3.8089; 3.8089; 3.8089 90; 90; 90 | 55.2584 | Wei, Z; Chen, X; Che, G; Wang, F; Jiang, P; Li, W; He, M Debye temperature of the MgCNi~3~ superconductor Chin. Phys. Lett, 2002, 19, 249-251 |
| 1100065 | CIF | B2 Na3 O6 Y | P 1 21/c 1 | 6.505; 8.5172; 12.0213 90; 118.72; 90 | 584.1 | Zhang, Y; Chen, X; Liang, J; Xu, T Synthesis and structural study of new rarte earth sodium borates of Na~3~Ln(BO~2~)~3~(Ln=Y,Gd) Journal of Alloys and Compounds, 2002, 333, 72-75 |
| 1100066 | CIF | ? | P63/m | 9.048; 9.047673; 6.704 90; 90; 120 | 475.29 | Al2O3 - ZrO2 standard |
| 1100067 | CIF | B2 O6 Sr3 | R -3 c :H | 9.0429; 9.0429; 12.5664 90; 90; 120 | 889.834 | Wei, Z. F.; Chen, X. L.; Wang, F. M.; Li, W. C.; He, M.; Zhang, Y. Phase relations in the ternary system SrO-TiO~2~-B~2~O~3~ Journal of Alloys and Compounds, 2001, 327, 10-13 |
| 1100069 | CIF | H12 Mg O12 S2 | P -1 | 6.819; 6.747; 6.506 94.23; 96.76; 101.72 | 289.6 | Black, W H; Griffith, E A H; Robertson, B E M S~2~ O~6~ (H~2~ O)~6~ (M = Mg, Ni, Zn) Acta Crystallographica B (24,1968-38,1982), 1975, 31, 615-617 |
| 1100070 | CIF | H12 Mg O9 S2 | P n m a | 9.397; 14.555; 6.864 90; 90; 90 | 938.8 | Baggio, S; Amzel, L; Becka, L N Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~ Acta Crystallographica B (24,1968-38,1982), 1969, 25, 1650-2653 |
| 1100072 | CIF | H12 Mg O9 S2 | P n m a | 9.32; 14.36; 6.87 90; 90; 90 | 919.4 | Nardelli, M; Fava, G; Giraldi, G The Crystal Structure of Magnesium Thiosulphate Hexahydrate Acta Crystallographica (1,1948-23,1967), 1962, 15, 227-231 |
| 1100073 | CIF | H12 Mg O9 S2 | P n m a | 9.405; 14.449; 6.866 90; 90; 90 | 933 | Elerman, Y; Fuess, H; Joswig, W Hydrogen Bonding in Magnesium Thiosulphate Hexahydrate Mg S~2~ O~3~ (H~2~ O)~6~. A Neutron Diffraction Study Acta Crystallographica B (24,1968-38,1982), 1982, 38, 1799-1801 |
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